| Name |
Gentiodelphin
Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside) |
| Formula |
C51H53O28 |
| Mw |
1113.27233612 |
| CAS RN |
84331-34-0 |
| C_ID |
C00002379
, 
|
| InChIKey |
CMHKKALEZOJWDP-SNPBHEOQNA-O |
| InChICode |
InChI=1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/p+1/t33-,34+,35-,39-,40-,41-,42+,43+,44+,45-,46+,47+,49-,50-,51-/m1/s1 |
| SMILES |
c1(cc(c2c(c1)[o+]c(c(c2)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)c1cc(c(c(c1)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(c(c1)O)O)O)O)O)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)/C=C/c1ccc(c(c1)O)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Gentianaceae | Gentiana makinoi | Ref. |
| Plantae | Gentianaceae | Gentiana triflora | Ref. |
|
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